Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRIMGLDVGSKTVGVAISDPLGFTAQGLEIIKIDE-ESGNFGFDRLAELVKE--YKVDKFVVGLPKNMNNTSGPR-V-E---AS--QAYGDKITELFNLPVEYQDERLTTVQAERMLVEQADISRGKRKKVIDKLAAQLILQNYLDRMF
2AA4 Chain:A ((1-112))
MTTLAIDIGGTKLAAALIGADGQIR-DRRELPTPASQTPEALRDALSALVSPLQAHAQRVAIASTGIIRDGSLLALNPHNLGGLLHFPLVKTLEQLTNLPTIAINDAQAAAWAEFQALDGDITDMVFITVSTGVGGGVVSGCKLLTGPG
General information:
TITO was launched using:
RESULT:
Template:
2AA4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -38419 for 707 contacts (-54.3/contact) +
2D Compatibility (PS) -10466 + (NN) 2094 + (LL) 120
1D Compatibility (HY) 800 + (ID) 750
Total energy: -46621.0 ( -65.94 by residue)
QMean score : 0.497
(partial model without unconserved sides chains):
PDB file :
Tito_2AA4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AA4-query.scw
PDB file :
Tito_Scwrl_2AA4.pdb
: